TABLE 1.

Data collection statistics

ParametersNative value
Wavelength (Å)0.9792
Cell parameter (Å), P21a = 52.86
b = 88.24
c = 76.67, β = 94.2°
Resolution range (Å)88.3-3.15 (3.3-3.15)
No. of observed reflectionsa41,223 (6,137)
No. of unique reflections12,236 (1,786)
Completeness (%)99.8 (99.8)
Multiplicity3.4 (3.4)
Rmergeb0.14 (0.68)
I/σ(I)11 (2.1)
Solvent content (%)50.17
  • a The numbers in parentheses refer to the last (highest) resolution shell.

  • b RmergehΣi Ihi−<Ih> / Σh,iIhi, where Ihi is the ith observation of the reflection h, while <Ih> is its mean intensity.